Cas no 5327-19-5 (2,6-dimethoxy-7h-purine)
2,6-dimethoxy-7h-purine structure
Product Name:2,6-dimethoxy-7h-purine
CAS No:5327-19-5
MF:C7H8N4O2
MW:180.16402053833
CID:1585040
PubChem ID:5131962
Update Time:2025-04-21
2,6-dimethoxy-7h-purine Chemical and Physical Properties
Names and Identifiers
-
- 2,6-dimethoxy-7h-purine
- 2,6-dimethoxy-7(9)H-purine
- NSC3295
- AC1NO436
- 2,6-dimethoxy-7(9)H-purine; NSC3295; AC1NO436;
- 5327-19-5
- DTXSID20408625
- NSC-3295
-
- Inchi： 1S/C7H8N4O2/c1-12-6-4-5(9-3-8-4)10-7(11-6)13-2/h3H,1-2H3,(H,8,9,10,11)
- InChI Key： PRTFLKXSYUGRCK-UHFFFAOYSA-N
- SMILES： O(C)C1C2=C(N=C(N=1)OC)N=CN2
Computed Properties
- Exact Mass: 180.06484
- Monoisotopic Mass: 180.064726
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 72.9
Experimental Properties
- Density: 1.52
- Boiling Point: 243.7°C at 760 mmHg
- Flash Point: 84.9°C
- Refractive Index: 1.672
- PSA: 67.9
- LogP: 0.37010
2,6-dimethoxy-7h-purine Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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